| SpectraBase Compound ID | 8JdMJ73j40c |
|---|---|
| InChI | InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2 |
| InChIKey | BSRDNMMLQYNQQD-UHFFFAOYSA-N |
| Mol Weight | 95.1 g/mol |
| Molecular Formula | C4H5N3 |
| Exact Mass | 95.048347 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 57Hhs56aBem |
|---|---|
| Name | Iminodiacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 95.048347173 u |
| Formula | C4H5N3 |
| InChI | InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2 |
| InChIKey | BSRDNMMLQYNQQD-UHFFFAOYSA-N |
| Molecular Weight | 95.105 g/mol |
| SMILES | N(CC#N)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.994934 |